1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)C[NH+]4CCC(CC4)C(=O)NC

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)C[NH+]4CCC(CC4)C(=O)NC

InChI

InChI=1S/C23H29N3O4/c1-15-12-19(20(27)14-25-8-6-17(7-9-25)23(28)24-3)16(2)26(15)18-4-5-21-22(13-18)30-11-10-29-21/h4-5,12-13,17H,6-11,14H2,1-3H3,(H,24,28)/p+1